Advances in Quantum Chemistry

Advances in Quantum Chemistry presents developments in mathematics, physics, chemistry, and biology. Single a a a single a a a, it vehicle a a a a a a. It provides a single vehicle for the progress of this interdisciplinary area.
Advances in Quantum Chemistry, Volume 51 deals with various aspects of mathematical versus chemical applications. Some parts belong to established scientific quantum chemistry as well as the quantification of the problem in spectral resonance analysis.
The first chapter in the calculation of the molecular structure of the family of methods.
Chapter 2 is devoted to Angular Momentum Diagrams.
In chapters 3 and 4, the authors portray Chemical Graph Theory (CGT).
Advance quantum mechanical signal processing through the fast. Padé transform (FPT) are covered in Chapter 5.
The Density-Functional Theory (DFT) description.

* Publishes articles, invited reviews and proceedings of major international conferences and workshops
* Compiled by the leading international researchers in quantum and theoretical chemistry
* Highlights the important, interdisciplinary developments

1. The Usefulness of Exponential Wave Function Expansions Employing One- and Two-Body Clusters Operators in Electronic Structure Theory: The Extended and Generalized Coupled-Cluster Methods (P.-D. Fan, P. Piecuch).

2. Angular Momentum Diagrams (P. Wormer, J. Paldus).

3. Chemical Graph Theory - The Mathematical Connection (I. Gutman).

4. Atomic Charges via Electronegativity Equalization: Generalizations and Perspectives (A. Oliferenko).

5. Fast Padé Transform for Exact Quantification of Time Signals in Magnetic Resonance Spectroscopy (D. Belkic).

6. Probing the Interplay between Electronic and Geometric Degrees-of-Freedom in Molecules and Reactive Systems (R. Nalewajski).